N'-tert-butyl-N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(1-phenylethyl)urea
Chemical Structure Depiction of
N'-tert-butyl-N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(1-phenylethyl)urea
N'-tert-butyl-N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(1-phenylethyl)urea
Compound characteristics
| Compound ID: | V022-0838 |
| Compound Name: | N'-tert-butyl-N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(1-phenylethyl)urea |
| Molecular Weight: | 574.72 |
| Molecular Formula: | C32 H42 N6 O4 |
| Salt: | not_available |
| Smiles: | CC(c1ccccc1)N(CC(N1CCCN(CC1)c1ccc(c2ccc(cc2OC)OC)nn1)=O)C(NC(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7655 |
| logD: | 4.7608 |
| logSw: | -4.5249 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.873 |
| InChI Key: | ZBJIPJZYBXUNKF-QHCPKHFHSA-N |